0 mol 7 unq 0 iso 0 dist 9.8603 9.33944 6.22805 13.8384 5.72491 5.99355 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.6396 16.5953 8.23292 13.3963 6.6492 5.33732 numMergedOcc 0
2 mol 71 unq 0 iso 0 dist 8.85372 13.9588 8.21553 6.90782 7.77916 11.7226 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 6.18305 7.53682 6.30194 11.4574 8.73253 14.8714 numMergedOcc 0
4 mol 103 unq 0 iso 0 dist 4.99966 4.36597 7.55805 5.71094 9.44561 8.4354 numMergedOcc 0
5 mol 112 unq 0 iso 0 dist 7.15985 9.87475 5.81552 6.84906 8.729 7.79791 numMergedOcc 0
6 mol 115 unq 0 iso 0 dist 4.98864 9.35695 9.56867 5.01124 5.74857 4.64486 numMergedOcc 0
7 mol 115 unq 1 iso 0 dist 7.95871 11.703 9.56867 7.39793 5.74857 4.64486 numMergedOcc 0
8 mol 143 unq 0 iso 0 dist 8.30654 11.7934 7.5984 6.29937 8.41611 11.1239 numMergedOcc 0
9 mol 143 unq 1 iso 0 dist 8.30654 11.7934 7.5984 6.49958 7.63338 14.3979 numMergedOcc 0
10 mol 143 unq 2 iso 0 dist 8.30654 11.7934 7.5984 6.80782 9.03707 9.05442 numMergedOcc 0
11 mol 143 unq 3 iso 0 dist 8.30654 11.7934 7.5984 5.82537 7.25673 12.1804 numMergedOcc 0
12 mol 154 unq 0 iso 0 dist 6.23399 7.10961 9.04554 9.97577 7.72144 13.8936 numMergedOcc 0
13 mol 162 unq 0 iso 0 dist 9.97921 12.2516 9.89142 5.5367 6.20182 7.6506 numMergedOcc 0
14 mol 163 unq 0 iso 0 dist 9.63873 13.739 6.56115 4.9482 8.38738 11.7732 numMergedOcc 0
15 mol 167 unq 0 iso 0 dist 8.14096 11.1988 8.58946 4.90755 9.94125 9.00245 numMergedOcc 0
16 mol 167 unq 1 iso 0 dist 8.43038 5.44954 8.58946 10.8056 9.94125 9.00245 numMergedOcc 0
17 mol 167 unq 2 iso 0 dist 9.87966 9.15105 8.58946 13.8234 9.94125 9.00245 numMergedOcc 0
18 mol 212 unq 0 iso 0 dist 5.87223 10.1355 7.87125 6.8255 6.29767 13.7645 numMergedOcc 0
19 mol 212 unq 1 iso 0 dist 5.87223 10.1355 7.87125 8.90296 8.74585 6.39716 numMergedOcc 0
20 mol 212 unq 2 iso 0 dist 8.062 7.5418 7.87125 11.009 6.29767 13.7645 numMergedOcc 0
21 mol 212 unq 3 iso 0 dist 8.062 7.5418 7.87125 12.2246 8.74585 6.39716 numMergedOcc 0
22 mol 212 unq 4 iso 0 dist 8.70011 11.1789 7.87125 8.66123 6.29767 13.7645 numMergedOcc 0
23 mol 212 unq 5 iso 0 dist 8.70011 11.1789 7.87125 12.2545 8.74585 6.39716 numMergedOcc 0
24 mol 214 unq 0 iso 0 dist 9.51764 18.2005 9.40003 10.5029 6.38157 12.2978 numMergedOcc 0
25 mol 214 unq 1 iso 0 dist 9.51764 4.74203 8.68385 10.5029 6.38157 11.7781 numMergedOcc 0
26 mol 214 unq 2 iso 0 dist 5.36829 4.87713 9.40003 8.38755 6.38157 12.2978 numMergedOcc 0
27 mol 214 unq 3 iso 0 dist 5.36829 13.4762 8.68385 8.38755 6.38157 11.7781 numMergedOcc 0
28 mol 229 unq 0 iso 0 dist 5.57702 5.17118 8.0007 7.78418 5.77318 7.57247 numMergedOcc 0
29 mol 253 unq 0 iso 0 dist 5.89502 7.60327 8.53729 5.73565 7.77998 4.60689 numMergedOcc 0
30 mol 253 unq 1 iso 0 dist 5.89502 9.90493 8.07341 5.73565 7.77998 9.18036 numMergedOcc 0
31 mol 253 unq 2 iso 0 dist 7.15815 13.127 8.53729 9.82329 7.77998 4.60689 numMergedOcc 0
32 mol 253 unq 3 iso 0 dist 7.15815 14.7487 8.07341 9.82329 7.77998 9.18036 numMergedOcc 0
33 mol 261 unq 0 iso 0 dist 9.73983 11.7215 8.50313 3.67304 8.60026 11.2562 numMergedOcc 0
34 mol 261 unq 1 iso 0 dist 9.73983 13.4973 7.6414 3.67304 8.60026 13.4429 numMergedOcc 0
35 mol 264 unq 0 iso 0 dist 6.83408 4.93509 6.80096 5.7394 6.42588 5.04055 numMergedOcc 0
36 mol 266 unq 0 iso 0 dist 8.59986 6.31111 7.72749 5.70666 7.71657 6.94588 numMergedOcc 0
